Generative quantum eigensolver (GQE) is a hybrid quantum-classical algorithm that iteratively trains a classical generative machine learning model such that the model can generate quantum circuits with desired properties such as approximating molecular ground states. It offers as many potential applications and as much flexibility as variational quantum eigensolvers, while avoiding the problem of barren plateaus. Quantum circuit cutting (QCC) is a technique to perform quantum computations that require more qubits than available on single quantum devices. It comes with considerable sampling overhead depending on the structure of the circuit to be cut and how the circuit is cut. To make QCC practical, therefore, the circuits to be cut must be designed such that their execution is meaningful and QCC overhead is kept small. In this work, we extend GQE such that the generative model only produces circuits whose overhead by QCC is upper-bounded, while retaining the original purpose of GQE. Consequently, our proposal not only enhances the applicability of GQE through the use of QCC, but also provides a practical application for QCC. Using a transformer decoder implementation of GQE, we evaluate our method through simulated ground state search experiments on the BeH_2 molecule. A new loss function and a hybrid online/offline training strategy are also introduced and it is observed that these tools improve convergence and final energy values.
Generative quantum eigensolver (GQE) is a hybrid quantum-classical algorithm that iteratively trains a classical generative machine learning model such that the model can generate quantum circuits with desired properties such as approximating molecular ground states. It offers as many potential applications and as much flexibility as variational quantum eigensolvers, while avoiding the problem of barren plateaus. Quantum circuit cutting (QCC) is a technique to perform quantum computations that require more qubits than available on single quantum devices. It comes with considerable sampling overhead depending on the structure of the circuit to be cut and how the circuit is cut. To make QCC practical, therefore, the circuits to be cut must be designed such that their execution is meaningful and QCC overhead is kept small. In this work, we extend GQE such that the generative model only produces circuits whose overhead by QCC is upper-bounded, while retaining the original purpose of GQE. Consequently, our proposal not only enhances the applicability of GQE through the use of QCC, but also provides a practical application for QCC. Using a transformer decoder implementation of GQE, we evaluate our method through simulated ground state search experiments on the BeH_2 molecule. A new loss function and a hybrid online/offline training strategy are also introduced and it is observed that these tools improve convergence and final energy values.
The ground state search problem is central to quantum computing, with applications spanning quantum chemistry, condensed matter physics, and optimization. The Variational Quantum Eigensolver (VQE) has shown promise for small systems but faces significant limitations. These include barren plateaus, restricted ansatz expressivity, and reliance on domain-specific structure. We present SpinGQE, an extension of the Generative Quantum Eigensolver (GQE) framework to spin Hamiltonians. Our approach reframes circuit design as a generative modeling task. We employ a transformer-based decoder to learn distributions over quantum circuits that produce low-energy states. Training is guided by a weighted mean-squared error loss between model logits and circuit energies evaluated at each gate subsequence. We validate our method on the four-qubit Heisenberg model, demonstrating successfulconvergencetonear-groundstates. Throughsystematichyperparameterexploration, we identify optimal configurations: smaller model architectures (12 layers, 8 attention heads), longer sequence lengths (12 gates), and carefully chosen operator pools yield the most reliable convergence. Our results show that generative approaches can effectively navigate complex energy landscapes without relying on problem-specific symmetries or structure. This provides a scalable alternative to traditional variational methods for general quantum systems. An open-source implementation is available at https://github.com/Mindbeam-AI/SpinGQE.
Quantum computing is entering a transformative phase with the emergence of logical quantum processors, which hold the potential to tackle complex problems beyond classical capabilities. While significant progress has been made, applying quantum algorithms to real-world problems remains challenging. Hybrid quantum-classical techniques have been explored to bridge this gap, but they often face limitations in expressiveness, trainability, or scalability. In this work, we introduce conditional Generative Quantum Eigensolver (conditional-GQE), a context-aware quantum circuit generator powered by an encoder-decoder Transformer. Focusing on combinatorial optimization, we train our generator for solving problems with up to 10 qubits, exhibiting nearly perfect performance on new problems. By leveraging the high expressiveness and flexibility of classical generative models, along with an efficient preference-based training scheme, conditional-GQE provides a generalizable and scalable framework for quantum circuit generation. Our approach advances hybrid quantum-classical computing and contributes to accelerate the transition toward fault-tolerant quantum computing.
We introduce the generative quantum eigensolver (GQE), a new quantum computational framework that operates outside the variational quantum algorithm paradigm by applying classical generative models to quantum simulation. The GQE algorithm optimizes a classical generative model to produce quantum circuits with desired properties. Here, we develop a transformer-based implementation, which we name the generative pre-trained transformer-based (GPT) quantum eigensolver (GPT-QE). We show a proof-of-concept of training and pretraining of GPT-QE applied to electronic structure Hamiltonians, and demonstrate its ability illustrated by surpassing coupled cluster singles and doubles (CCSD) for the strong bond dissociation of the nitrogen molecule and approaching chemical accuracy. We also demonstrate the method on real quantum hardware.
The rapid advancement in Quantum Computing, particularly through Noisy-Intermediate Scale Quantum (NISQ) devices, has spurred significant interest in Quantum Machine Learning (QML) applications. Despite their potential, fully-quantum algorithms remain impractical due to the limitations of current NISQ devices. Hybrid quantum-classical neural networks (HQNNs) have emerged as a viable alternative, leveraging both quantum and classical computations to enhance machine learning capabilities. However, the constrained resources of NISQ devices, particularly the limited number of qubits, pose significant challenges for executing large-scale quantum circuits. This work addresses these current challenges by proposing a novel and practical methodology for quantum circuit cutting of HQNNs, allowing large quantum circuits to be executed on limited-qubit NISQ devices. Our approach not only preserves the accuracy of the original circuits but also supports the training of quantum parameters across all subcircuits, which is crucial for the learning process in HQNNs. We propose a cutting methodology for HQNNs that employs a greedy algorithm for identifying efficient cutting points, and the implementation of trainable subcircuits, all designed to maximize the utility of NISQ devices in HQNNs. The findings suggest that quantum circuit cutting is a promising technique for advancing QML on current quantum hardware, since the cut circuit achieves comparable accuracy and much lower qubit requirements than the original circuit. The code is available at https://github.com/eBrain4Everyone/QNN-Cutting.
A variational quantum eigensolver (VQE) designed for noisy intermediate-scale quantum (NISQ) computers is a promising hybrid quantum-classical algorithm for quantum chemical calculations (QCC). Its accuracy and computational cost strongly depend on an ansatz, and unitary coupled-cluster (UCC) ansatze are well-known chemistry-inspired ansatze that can achieve a high accuracy for QCC. However, UCC-based quantum circuits have a high depth and a lot of 2-qubit controlled NOT (CNOT) gates which are sensitive to noises, leading to the low accuracy of VQE running on NISQ computers. To address this issue, we propose a novel offline quantum circuit pruning technique that reduces the number of CNOT gates and depth of UCC-based quantum circuits by reducing the number of excitation operators per parameter to a user-specified value. It is applied only once before VQE is executed (i.e., offline), which is the advantage over state-of-the-art quantum circuit pruning techniques. The evaluation using a quantum computer simulator with a noise model based on a real NISQ device shows that our offline pruning technique improves the accuracy of UCCSD-VQE while sustaining the potential accuracy of the UCCSD ansatz and has a synergy with a well-known noise mitigation method called zero noise extrapolation (ZNE).
This chapter introduces variational quantum algorithms, a class of hybrid methods that leverage parametrized quantum circuits and classical optimization to solve problems in chemistry, optimization, and machine learning. Focusing on the variational quantum eigensolver and the quantum approximate optimization algorithm, we explore their algorithmic structure, theoretical motivation, and practical implementation on near-term devices. We discuss key challenges such as barren plateaus, ansatz design, and measurement overhead, as well as opportunities for adaptive circuits, noise-aware optimization, and emerging applications in quantum machine learning. The chapter lays the foundation for understanding variational classifiers and generative models in subsequent chapters.